ChemSpider 2D Image | cryptophycin 1 | C35H43ClN2O8

cryptophycin 1

  • Molecular FormulaC35H43ClN2O8
  • Average mass655.177 Da
  • Monoisotopic mass654.270813 Da
  • ChemSpider ID4942881

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,6R,10R,13E,16S)-10-(3-Chlor-4-methoxybenzyl)-3-isobutyl-6-methyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-en-2,5,9,12-tetron [German] [ACD/IUPAC Name]
(3S,6R,10R,13E,16S)-10-(3-Chloro-4-methoxybenzyl)-3-isobutyl-6-methyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone [ACD/IUPAC Name]
(3S,6R,10R,13E,16S)-10-(3-Chloro-4-méthoxybenzyl)-3-isobutyl-6-méthyl-16-{(1S)-1-[(2R,3R)-3-phényl-2-oxiranyl]éthyl}-1,4-dioxa-8,11-diazacyclohexadéc-13-ène-2,5,9,12-tétrone [French] [ACD/IUPAC Name]
1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-, (3S,6R,10R,13E,16S)- [ACD/Index Name]
124689-65-2 [RN]
cryptophycin 1
cryptophycin-1
(3S,6R,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone
(3S,6R,10R,13E,16S)-10-(3-chloro-4-methoxybenzyl)-6-methyl-3-(2-methylpropyl)-16-{(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-3-isobutyl-6-methyl-16-[(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

XO974V2M5T [DBID]
UNII:XO974V2M5T [DBID]
UNII-XO974V2M5T [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 889.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 491.7±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 171.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.63
ACD/KOC (pH 5.5): 1525.46
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.63
ACD/KOC (pH 7.4): 1525.45
Polar Surface Area: 133 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 559.1±3.0 cm3

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